4-methyl-N-[5-(quinoline-8-carbonyl)-4,6-dihydro-1H-pyrrolo[3,4-d]pyrazol-3-yl]benzamide

C23H19N5O2 — CID 23645985

IUPAC4-methyl-N-[5-(quinoline-8-carbonyl)-4,6-dihydro-1H-pyrrolo[3,4-d]pyrazol-3-yl]benzamide
SMILESCc1ccc(C(=O)Nc2n[nH]c3c2CN(C(=O)c2cccc4cccnc24)C3)cc1
InChIInChI=1S/C23H19N5O2/c1-14-7-9-16(10-8-14)22(29)25-21-18-12-28(13-19(18)26-27-21)23(30)17-6-2-4-15-5-3-11-24-20(15)17/h2-11H,12-13H2,1H3,(H2,25,26,27,29)
InChIKeyQVBATOUAXIHAHS-UHFFFAOYSA-N
MW397.44 g/mol
LogP3.67
Rot. Bonds3

About 4-methyl-N-[5-(quinoline-8-carbonyl)-4,6-dihydro-1H-pyrrolo[3,4-d]pyrazol-3-yl]benzamide

4-methyl-N-[5-(quinoline-8-carbonyl)-4,6-dihydro-1H-pyrrolo[3,4-d]pyrazol-3-yl]benzamide (PubChem CID 23645985) has the molecular formula C23H19N5O2 and a molecular weight of 397.44 g/mol. Its IUPAC name is 4-methyl-N-[5-(quinoline-8-carbonyl)-4,6-dihydro-1H-pyrrolo[3,4-d]pyrazol-3-yl]benzamide.

Molecular Properties

Compound Name4-methyl-N-[5-(quinoline-8-carbonyl)-4,6-dihydro-1H-pyrrolo[3,4-d]pyrazol-3-yl]benzamide
PubChem CID23645985
Molecular FormulaC23H19N5O2
Molecular Weight397.44 g/mol
Exact Mass397.15
IUPAC Name4-methyl-N-[5-(quinoline-8-carbonyl)-4,6-dihydro-1H-pyrrolo[3,4-d]pyrazol-3-yl]benzamide
SMILESCc1ccc(C(=O)Nc2n[nH]c3c2CN(C(=O)c2cccc4cccnc24)C3)cc1
InChIInChI=1S/C23H19N5O2/c1-14-7-9-16(10-8-14)22(29)25-21-18-12-28(13-19(18)26-27-21)23(30)17-6-2-4-15-5-3-11-24-20(15)17/h2-11H,12-13H2,1H3,(H2,25,26,27,29)
InChIKeyQVBATOUAXIHAHS-UHFFFAOYSA-N
XLogP3.67
TPSA90.98 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500397.44
LogP ≤ 53.67
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 4-methyl-N-[5-(quinoline-8-carbonyl)-4,6-dihydro-1H-pyrrolo[3,4-d]pyrazol-3-yl]benzamide?
The IUPAC name of 4-methyl-N-[5-(quinoline-8-carbonyl)-4,6-dihydro-1H-pyrrolo[3,4-d]pyrazol-3-yl]benzamide (CID 23645985) is 4-methyl-N-[5-(quinoline-8-carbonyl)-4,6-dihydro-1H-pyrrolo[3,4-d]pyrazol-3-yl]benzamide.
What is the SMILES notation for 4-methyl-N-[5-(quinoline-8-carbonyl)-4,6-dihydro-1H-pyrrolo[3,4-d]pyrazol-3-yl]benzamide?
The canonical SMILES for 4-methyl-N-[5-(quinoline-8-carbonyl)-4,6-dihydro-1H-pyrrolo[3,4-d]pyrazol-3-yl]benzamide is Cc1ccc(C(=O)Nc2n[nH]c3c2CN(C(=O)c2cccc4cccnc24)C3)cc1.
What is the InChIKey of 4-methyl-N-[5-(quinoline-8-carbonyl)-4,6-dihydro-1H-pyrrolo[3,4-d]pyrazol-3-yl]benzamide?
The InChIKey is QVBATOUAXIHAHS-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H19N5O2/c1-14-7-9-16(10-8-14)22(29)25-21-18-12-28(13-19(18)26-27-21)23(30)17-6-2-4-15-5-3-11-24-20(15)17/h2-11H,12-13H2,1H3,(H2,25,26,27,29).
What are the key properties of 4-methyl-N-[5-(quinoline-8-carbonyl)-4,6-dihydro-1H-pyrrolo[3,4-d]pyrazol-3-yl]benzamide?
4-methyl-N-[5-(quinoline-8-carbonyl)-4,6-dihydro-1H-pyrrolo[3,4-d]pyrazol-3-yl]benzamide has a molecular weight of 397.44 g/mol, XLogP of 3.67, 3 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-methyl-N-[5-(quinoline-8-carbonyl)-4,6-dihydro-1H-pyrrolo[3,4-d]pyrazol-3-yl]benzamide is sourced from PubChem (CID 23645985), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).